Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 2019
  2. Published

    An Optimized Screen Reduces the Number of GA Transporters and Provides Insights Into Nitrate Transporter 1/Peptide Transporter Family Substrate Determinants. / Wulff, Nikolai; Ernst, Heidi Asschenfeldt; Jørgensen, Morten Egevang; Lambertz, Sophie; Maierhofer, Tobias; Belew, Zeinu Mussa; Crocoll, Christoph; Motawia, Mohammed Saddik; Geiger, Dietmar; Jørgensen, Flemming Steen; Mirza, Osman; Nour-Eldin, Hussam Hassan.

    In: Frontiers in Plant Science, Vol. 10, 03.10.2019.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    SMARTCyp 3.0 : enhanced cytochrome P450 site-of-metabolism prediction server. / Olsen, Lars; Montefiori, Marco; Tran, Khanhvi Phuc; Jørgensen, Flemming Steen.

    In: Bioinformatics (Oxford, England), Vol. 35, No. 17, 01.09.2019, p. 3174-3175.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism : A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants. / Leth, Rasmus; Ercig, Bogac; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Journal of Chemical Information and Modeling, Vol. 59, No. 2, 25.02.2019, p. 743-753.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    Molecular Dynamics Simulations Reveal the Proton:Peptide Coupling Mechanism in the Bacterial Proton-Coupled Oligopeptide Transporter YbgH. / Aduri, Nanda G.; Montefiori, Marco; Khalil, Ruqaiya; Gajhede, Michael; Jørgensen, Flemming Steen; Mirza, Osman.

    In: ACS Omega, Vol. 4, No. 1, 31.01.2019, p. 2040-2046.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism. / Montefiori, Marco; Lyngholm-Kjærby, Casper; Long, Anthony; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Computational and Structural Biotechnology Journal, Vol. 17, 01.01.2019, p. 345-351.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published

    Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol. / Frydenvang, Karla; Verkade-Vreeker, Marlies C A; Dohmen, Floor; Commandeur, Jan N M; Rafiq, Maria; Mirza, Osman; Jørgensen, Flemming Steen; Geerke, Daan P.

    In: PLoS ONE, Vol. 14, No. 5, e0217292, 2019.

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. 2018
  9. Published

    The anti-epileptic drug lamotrigine inhibits the CYP17A1 lyase reaction in vitro. / Munkboel, Cecilie Hurup; Christensen, Lise Rudbaek; Islin, Julie; Bonomo, Silvia; Olsen, Lars; Jorgensen, Flemming Steen; Styrishave, Bjarne.

    In: Biology of Reproduction, Vol. 99, No. 4, 10.2018, p. 888-897.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. 2017
  11. Published

    Aldehyde Oxidase: Reaction Mechanism and Prediction of Site of Metabolism. / Montefiori, Marco; Jorgensen, Flemming Steen; Olsen, Lars.

    In: ACS Omega, Vol. 2, No. 8, 08.2017, p. 4237-4244.

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. Published

    Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions. / Bonomo, Silvia; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 57, No. 5, 22.05.2017, p. 1123-1133.

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. Published

    The low binding affinity of D-serine at the ionotropic glutamate receptor GluD2 can be attributed to the hinge region. / Tapken, Daniel; Steffensen, Thomas Bielefeldt; Leth, Rasmus; Kristensen, Lise Baadsgaard; Gerbola, Alexander; Gajhede, Michael; Jørgensen, Flemming Steen; Olsen, Lars; Kastrup, Jette Sandholm.

    In: Scientific Reports, Vol. 7, 46145, 07.04.2017.

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. Published

    Structure-based optimisation of non-steroidal cytochrome P450 17A1 inhibitors. / Larsen, Morten; Hansen, Cecilie Hurup; Rasmussen, Tobias B.; Styrishave, Bjarne; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Chemical Communications, Vol. 53, No. 3118, 3118, 28.02.2017.

    Research output: Contribution to journalJournal articleResearchpeer-review

  15. Published

    Dissecting the Cytochrome P450 1A2- and 3A4-Mediated Metabolism of Aflatoxin B1 in Ligand and Protein Contributions. / Bonomo, Silvia; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Chemistry: A European Journal, Vol. 23, No. 12, 24.02.2017, p. 2884-2893.

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. 2016
  17. Published

    Promising Tools in Prostate Cancer Research : Selective Non-Steroidal Cytochrome P450 17A1 Inhibitors. / Bonomo, Silvia; Hansen, Cecilie H; Petrunak, Elyse M; Scott, Emily E; Styrishave, Bjarne; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Scientific Reports, Vol. 6, 29468, 12.07.2016.

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. Published

    Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling. / Sørensen, Amalie Møller; Hansen, Cecilie Hurup; Bonomo, Silvia; Olsen, Lars; Jørgensen, Flemming Steen; Weisser, Johan Juhl; Kretschmann, Andreas Christopher; Styrishave, Bjarne.

    In: Toxicology in Vitro, Vol. 34, 19.03.2016, p. 71-80.

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. Published

    Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. / Capoferri, Luigi; Leth, Rasmus; Ter Haar, Ernst; Mohanty, Arun K; Grootenhuis, Peter D J; Vottero, Eduardo; Commandeur, Jan M N; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars; Geerke, Daan P.

    In: Proteins: Structure, Function, and Bioinformatics, Vol. 84, No. 3, 03.2016, p. 383-96.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. Published

    Cytochrome P450 Mediated Drug Metabolism. / Olsen, Lars; Jørgensen, Flemming Steen; Oostenbrink, Chris.

    New Horizons in Predictive Drug Metabolism and Pharmacokinetics. ed. / Alan G.E. Wilson. Cambridge : Royal Society of Chemistry, 2016. p. 66-78 (RSC Drug Discovery, Vol. 49).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  21. 2015
  22. Published

    Prediction of cytochrome P450 mediated metabolism. / Olsen, Lars; Oostenbrink, Chris; Jørgensen, Flemming Steen.

    In: Advanced Drug Delivery Reviews, Vol. 86, 06.05.2015, p. 61-71.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction. / Leth, Rasmus; Rydberg, Patrik; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 55, No. 3, 23.03.2015, p. 660-6.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. Published

    Salt-bridge Swapping in the EXXERFXYY Motif of Proton Coupled Oligopeptide Transporters. / Aduri, Nanda G; Prabhala, Bala K; Ernst, Heidi A; Jørgensen, Flemming S; Olsen, Lars; Mirza, Osman.

    In: The Journal of Biological Chemistry, Vol. 290, No. 50, 2015, p. 29931-29940.

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. 2014
  26. Published

    Design of prodrugs targeting the intestinal di/tri‐peptide transporter hPEPT1 (SLC15A1. / Omkvist, Diana Højmark; Nielsen, Carsten Uhd; Steffansen, Bente; Larsen, Simon Birksø; Olsen, Lars; Jørgensen, Flemming Steen; Brodin, Birger.

    2014. Abstract from Meet the Experts: Transporter Conference- 2014, Budapest, Hungary.

    Research output: Contribution to conferenceConference abstract for conferenceResearchpeer-review

  27. Published

    Use of density functional theory in drug metabolism studies. / Rydberg, Patrik; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Expert Opinion on Drug Metabolism & Toxicology, Vol. 10, No. 2, 02.2014, p. 215-27.

    Research output: Contribution to journalJournal articleResearchpeer-review

  28. 2012
  29. Published

    A robust force field based method for calculating conformational energies of charged drug-like molecules. / Pøhlsgaard, Jacob; Harpsøe, Kasper; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 52, No. 2, 2012, p. 409-419.

    Research output: Contribution to journalJournal articleResearchpeer-review

  30. Published

    A steered molecular dynamics study of binding and translocation processes in the GABA transporter. / Skovstrup, Søren; David, Laurent; Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: P L o S One, Vol. 7, No. 6, 2012, p. e39360.

    Research output: Contribution to journalJournal articleResearchpeer-review

  31. Published

    Prediction of pH-dependent aqueous solubility of druglike molecules. / Hansen, Niclas Tue; Kouskoumvekaki, Irene; Jørgensen, Flemming Steen; Brunak, Søren; Jónsdóttir, Svava Osk.

    In: Journal of Chemical Information and Modeling, Vol. 46, No. 6, 2012, p. 2601-2609.

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. Published

    Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives. / Hansen, Anders N.; Bendiksen, Christine D.; Sylvest, Lene; Friis, Tina; Stærk, Dan; Jørgensen, Flemming Steen; Olsen, Christian Adam; Houen, Gunnar.

    In: P L o S One, Vol. 7, No. 9, 2012.

    Research output: Contribution to journalJournal articleResearchpeer-review

  33. Published

    hERG classification model based on a combination of support vector machine method and GRIND descriptors. / Li, Qiyuan; Jørgensen, Flemming Steen; Oprea, Tudor; Brunak, Søren; Taboureau, Olivier.

    In: Molecular Pharmaceutics, Vol. 5, No. 1, 2012, p. 117-127.

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. 2011
  35. Published

    In silico predictions of hERG channel blockers in drug discovery : from ligand-based and target-based approaches to systems chemical biology. / Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: Combinatorial Chemistry & High Throughput Screening, Vol. 14, No. 5, 06.2011, p. 375-387.

    Research output: Contribution to journalJournal articleResearchpeer-review

  36. Published

    G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations. / Ísberg, Vignir; Balle, Thomas; Sander, Tommy; Jørgensen, Flemming Steen; Gloriam, David Erik Immanuel.

    In: Journal of Chemical Information and Modeling, Vol. 51, No. 2, 28.02.2011, p. 315-325.

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. Published

    Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening. / Poongavanam, Vasanthanathan; Lastdrager, Jeroen; Oostenbrink, Chris ; Commandeur, Jan N M; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars.

    In: MedChemComm, Vol. 2, No. 9, 2011, p. 853-859.

    Research output: Contribution to journalJournal articleResearchpeer-review

  38. 2010
  39. Published

    A diversity optimized combinatorial library for the identification of Fc-fragment binding ligands. / Nielsen, Anders L; Jørgensen, Flemming Steen; Olsen, Lars; Christensen, Søren F; Benie, Andrew J; Bjørnholm, Thomas; St. Hilaire, Phaedria M.

    In: Biopolymers, Vol. 94, No. 2, 2010, p. 192-205.

    Research output: Contribution to journalJournal articleResearchpeer-review

  40. Published

    A quantitative structure-activity relationship for translocation of tripeptides via the human proton-coupled peptide transporter, hPEPT1 (SLC15A1). / Omkvist, Diana Højmark; Larsen, Simon Birksø; Nielsen, Carsten Uhd; Steffansen, Bente; Olsen, Lars; Jørgensen, Flemming Steen; Larsen, Birger Brodin.

    In: The AAPS Journal, Vol. 12, No. 3, 2010, p. 385-396.

    Research output: Contribution to journalJournal articleResearchpeer-review

  41. Published

    Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations. / Poongavanam, Vasanthanathan; Olsen, Lars; Jørgensen, Flemming Steen; Vermeulen, Nico P E; Oostenbrink, Chris.

    In: Drug Metabolism and Disposition, Vol. 38, No. 8, 2010, p. 1347-1354.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. Published

    Forbedret optagelse af lægemidler i organismen : computeren viser vejen. / Larsen, Simon Birksø; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Dansk Kemi, Vol. 91, No. 6/7, 2010, p. 18-20.

    Research output: Contribution to journalJournal articleResearch

  43. Published

    Homology modelling of the GABA transporter and analysis of tiagabine binding. / Skovstrup, Søren; Taboureau, Olivier; Bräuner-Osborne, Hans; Jørgensen, Flemming Steen.

    In: ChemMedChem, Vol. 5, No. 7, 2010, p. 986-1000.

    Research output: Contribution to journalJournal articleResearchpeer-review

  44. Published

    Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter. / Andersen, Jacob; Olsen, Lars; Hansen, Kasper Bø; Taboureau, Olivier; Jørgensen, Flemming Steen; Jørgensen, Anne Marie; Bang-Andersen, Benny; Egebjerg, Jan; Strømgaard, Kristian; Kristensen, Anders Skov.

    In: Journal of Biological Chemistry, Vol. 285, No. 3, 2010, p. 2051-2063.

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. 2009
  46. Published

    Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques. / Poongavanam, Vasanthanathan; Taboureau, Olivier; Oostenbrink, Chris; Vermeulen, Nico P E; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Drug Metabolism and Disposition, Vol. 37, No. 3, 2009, p. 658-664.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. Published

    Discovery of ligands for the human intestinal di-/tripeptide transporter (hPEPT1) using af QSAR-assisted virtual screening strategy. / Larsen, Simon Birksø; Omkvist, Diana Højmark; Larsen, Birger Brodin; Nielsen, Carsten Uhd; Steffansen, Bente; Olsen, Lars; Jørgensen, Flemming Steen.

    In: ChemMedChem, Vol. 4, No. 9, 2009, p. 1439-1445.

    Research output: Contribution to journalJournal articleResearchpeer-review

  48. Published

    Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands. / Poongavanam, Vasanthanathan; Hritz, Jozef; Taboureau, Olivier; Olsen, Lars; Jørgensen, Flemming Steen; Vermeulen, Nico P E; Oostenbrink, Chris.

    In: Journal of Chemical Information and Modeling, Vol. 49, No. 1, 2009, p. 43-52.

    Research output: Contribution to journalJournal articleResearchpeer-review

  49. 2008
  50. Published

    QSAR models for the human H+/peptide symporter, hPEPT1: Affinity prediction using alignment-independent descriptors. / Larsen, Simon Birksø; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 48, No. 1, 2008, p. 233-241.

    Research output: Contribution to journalJournal articleResearchpeer-review

  51. Published

    Small angle X-ray scattering study of calreticulin reveals conformational plasticity. / Toft, Katrine Nørgaard; Larsen, Nanna; Jørgensen, Flemming Steen; Højrup, Peter; Houen, Gunnar; Vestergaard, Bente.

    In: BBA General Subjects, Vol. 1784, No. 9, 2008, p. 1265-1270.

    Research output: Contribution to journalJournal articleResearchpeer-review

  52. Published

    Solvent diversity in polymorph screening. / Allesø, Morten; Van Der Berg, Franciscus Winfried J; Cornett, Claus; Jørgensen, Flemming Steen; Halling-Sørensen, Bent; Lopez de Diego, Heidi; Hovgaard, Lars; Aaltonen, Jaakko; Rantanen, Jukka Tapio.

    In: Journal of Pharmaceutical Sciences, Vol. 97, No. 6, 2008, p. 2145-2159.

    Research output: Contribution to journalJournal articleResearchpeer-review

  53. 2007
  54. Published

    Computational prediction of solubilizers' effect on partitioning. / Høst, Jan; Christensen, Inge Thøger; Jørgensen, Flemming Steen; Frøkjær, Sven; Hovgaard, Lars.

    In: Internation Journal of Pharmaceutics, Vol. 329, No. 1-2, 2007, p. 46-52.

    Research output: Contribution to journalJournal articleResearchpeer-review

  55. Published

    Determination of protein conformation by isotopically labelled cross-linking and dedicated software: Application to the chaperone, calreticulin. / Nielsen, Tina; Thaysen-Andersen, Morten; Larsen, Nanna; Jørgensen, Flemming Steen; Houen, Gunnar; Højrup, Peter.

    In: International Journal of Mass Spectrometry, Vol. 268, No. 2-3, 2007, p. 217-226.

    Research output: Contribution to journalJournal articleResearchpeer-review

  56. Published

    Study on the binding of Thioflavin T to ß-sheet-rich and non-ß-sheet cavities. / Jensen, Minna Grønning; Olsen, Lars; Van De Weert, Marco; Flink, James M.; Frøkjær, Sven; Jørgensen, Flemming Steen.

    In: Journal of Structural Biology, Vol. 158, No. 3, 2007, p. 358-369.

    Research output: Contribution to journalJournal articleResearchpeer-review

  57. 2006
  58. Published

    Development of a QSAR model for binding of tripeptides and tripeptidomimetics to the human intestinal di-/tripeptide transporter hPEPT1. / Andersen, Rikke; Jørgensen, Flemming Steen; Olsen, Lars; Våbenø, Jon; Thorn, Karina; Nielsen, Carsten Uhd; Steffansen, Bente.

    In: Pharmaceutical Research, Vol. 23, No. 3, 2006, p. 483-92.

    Research output: Contribution to journalJournal articleResearchpeer-review

  59. Published

    Identification of a gene on chromosome 12q22 uniquely overexpressed in chronic lymphocytic leukemia. / Buhl, Anne Mette; Jurlander, Jesper; Jørgensen, Flemming Steen; Ottesen, Anne Marie; Cowland, Jack B; Gjerdrum, Lise Mette; Hansen, Brian V; Leffers, Henrik.

    In: Blood, Vol. 107, No. 7, 2006, p. 2904-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  60. Published

    In vitro evaluation of N-methyl amide tripeptidomimetics as substrates for the human intestinal di-/tri-peptide transporter hPEPT1. / Andersen, Rikke; Nielsen, Carsten Uhd; Begtrup, Mikael; Jørgensen, Flemming Steen; Brodin, Birger; Frokjaer, Sven; Steffansen, Bente.

    In: European Journal of Pharmaceutical Sciences, Vol. 28, No. 4, 2006, p. 325-35.

    Research output: Contribution to journalJournal articleResearchpeer-review

  61. Published

    New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design. / Olsen, Lars; Jost, Sandra; Adolph, Hans-Werner; Pettersson, Ingrid; Hemmingsen, Lars; Jørgensen, Flemming Steen.

    In: Bioorganic & Medicinal Chemistry, Vol. 14, No. 8, 2006, p. 2627-2635.

    Research output: Contribution to journalJournal articleResearchpeer-review

  62. 2005
  63. Published

    Conformational restrictions in ligand binding to the human intestinal di-/tripeptide transporter : implications for design of hPEPT1 targeted prodrugs. / Våbenø, Jon; Nielsen, Carsten Uhd; Steffansen, Bente; Lejon, Tore; Sylte, Ingebrigt; Jørgensen, Flemming Steen; Luthman, Kristina.

    In: Bioorganic & Medicinal Chemistry, Vol. 13, No. 6, 2005, p. 1977-88.

    Research output: Contribution to journalJournal articleResearchpeer-review

  64. Published

    Prediction methods and databases within chemoinformatics : emphasis on drugs and drug candidates. / Jónsdóttir, Svava Osk; Jørgensen, Flemming Steen; Brunak, Søren.

    In: Bioinformatics, Vol. 21, No. 10, 2005, p. 2145-60.

    Research output: Contribution to journalJournal articleResearchpeer-review

  65. 2004
  66. Published

    Computeren kan forudsige lægemidlers omdannelse. / Olsen, Lars; Bergmann, Rikke; Jørgensen, Flemming Steen.

    In: Lægemiddelforskning 2004, 2004.

    Research output: Contribution to journalJournal articleResearch

  67. Published

    Docking and scoring of metallo-beta-lactamases inhibitors. / Olsen, Lars; Pettersson, Ingrid; Hemmingsen, Lars; Adolph, Hans-Werner; Jørgensen, Flemming Steen.

    In: Journal of Computer - Aided Molecular Design, Vol. 18, No. 4, 2004, p. 287-302.

    Research output: Contribution to journalJournal articleResearchpeer-review

  68. Published

    Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones. / Kunick, Conrad; Lauenroth, Kathrin; Wieking, Karen; Xie, Xu; Schultz, Christiane; Gussio, Rick; Zaharevitz, Daniel; Leost, Maryse; Meijer, Laurent; Weber, Alexander; Jørgensen, Flemming Steen; Lemcke, Thomas.

    In: Journal of Medicinal Chemistry, Vol. 47, No. 1, 2004, p. 22-36.

    Research output: Contribution to journalJournal articleResearchpeer-review

  69. Published

    Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum. / Alifrangis, Michael; Christensen, Inge T; Jørgensen, Flemming S; Rønn, Anita M; Weng, Jimmy E; Chen, Ming; Bygbjerg, Ib C; Sirawaraporn, Worachart; Palarasah, Yaseelan; Koch, Claus.

    In: Malaria Journal, Vol. 3, 2004, p. 16.

    Research output: Contribution to journalJournal articleResearchpeer-review

  70. Published

    Isolation of a library of aromadendranes from Landolphia dulcis and its characterization using the VolSurf approach. / Staerk, Dan; Skole, Brian; Jørgensen, Flemming Steen; Budnik, Bogdan A; Ekpe, Patrick; Jaroszewski, Jerzy W.

    In: Journal of Natural Products, Vol. 67, No. 5, 2004, p. 799-805.

    Research output: Contribution to journalJournal articleResearchpeer-review

  71. Published

    Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques. / Afzelius, Lovisa; Raubacher, Florian; Karlén, Anders; Jørgensen, Flemming Steen; Andersson, Tommy B; Masimirembwa, Collen M; Zamora, Ismael.

    In: Drug Metabolism and Disposition, Vol. 32, No. 11, 2004, p. 1218-29.

    Research output: Contribution to journalJournal articleResearchpeer-review

  72. 2002
  73. Published

    Human peptide transporters : Therapeutic applications. / Nielsen, Carsten Uhd; Brodin, Birger; Jørgensen, Flemming Steen; Frokjaer, Sven; Steffansen, Bente.

    In: Expert Opinion on Therapeutic Patents, Vol. 12, No. 9, 01.09.2002, p. 1329-1350.

    Research output: Contribution to journalJournal articleResearchpeer-review

  74. Published

    Assessing the relative importance of the biophysical properties of amino acid substitutions associated with human genetic disease. / Terp, Bent N; Cooper, David N; Christensen, Inge T; Jørgensen, Flemming Steen; Bross, Peter Gerd; Gregersen, Niels; Krawczak, Michael.

    In: Human Mutation, Vol. 20, No. 2, 2002, p. 98-109.

    Research output: Contribution to journalJournal articleResearchpeer-review

  75. Published

    Structural differences of matrix metalloproteinases with potential implications for inhibitor selectivity examined by the GRID/CPCA approach. / Terp, Gitte Elgaard; Cruciani, Gabriele; Christensen, Inge Thøger; Jørgensen, Flemming Steen.

    In: Journal of Medicinal Chemistry, Vol. 45, No. 13, 2002, p. 2675-84.

    Research output: Contribution to journalJournal articleResearchpeer-review

  76. 2001
  77. Published

    A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities. / Terp, G E; Johansen, B N; Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Medicinal Chemistry, Vol. 44, No. 14, 2001, p. 2333-43.

    Research output: Contribution to journalJournal articleResearchpeer-review

  78. 2000
  79. Published

    Structural differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes. / Terp, G E; Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Biomolecular Structure & Dynamics, Vol. 17, No. 6, 2000, p. 933-46.

    Research output: Contribution to journalJournal articleResearchpeer-review

  80. 1999
  81. Published

    Towards an understanding of drug resistance in malaria : three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building. / Lemcke, T; Christensen, I T; Jørgensen, Flemming Steen.

    In: Bioorganic & Medicinal Chemistry, Vol. 7, No. 6, 1999, p. 1003-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  82. 1997
  83. Published

    Conformational analysis of six- and twelve-membered ring compounds by molecular dynamics. / Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Computer - Aided Molecular Design, Vol. 11, No. 4, 1997, p. 385-94.

    Research output: Contribution to journalJournal articleResearchpeer-review

  84. Published

    Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies. / Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Biomolecular Structure & Dynamics, Vol. 15, No. 3, 1997, p. 473-88.

    Research output: Contribution to journalJournal articleResearchpeer-review

  85. Published

    Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus. a molecular mechanics and molecular dynamics study. / da Graça Thrige, D; Buur, J R; Jørgensen, Flemming Steen.

    In: Biopolymers, Vol. 42, No. 3, 1997, p. 319-36.

    Research output: Contribution to journalJournal articleResearchpeer-review

  86. 1996
  87. Published

    Update on protein structure prediction : Results of the 1995 IRBM workshop. / Hubbard, T; Tramontano, A; Barton, G; Jones, D; Sippl, M; Valencia, A; Lesk, A; Moult, J; Rost, B; Sander, C; Schneider, R; Lahm, A; Leplae, R; Buta, C; Eisenstein, M; Fjellstrom, O; Floeckner, H; Grossmann, JG; Hansen, J; Citterich, MH; Jørgensen, Flemming Steen; MarchlerBauer, A; Osuna, J; Park, J; Reinhardt, A; dePouplana, LR; RojoDominguez, A; Saudek, V; Sinclair, J; Sturrock, S; Venclovas, C; Vinals, C.

    In: Folding and Design, Vol. 1, No. 3, 1996, p. R55-R63.

    Research output: Contribution to journalJournal articleResearchpeer-review

  88. 1995
  89. Published

    Crystallization and preliminary X-ray analysis of a PNA-DNA complex. / Kastrup, Jette Sandholm Jensen; Pilgaard, Michael; Jørgensen, Flemming Steen; Nielsen, Peter E.; Rasmussen, Hanne B.

    In: FEBS Letters, Vol. 363, 1995, p. 115-117.

    Research output: Contribution to journalJournal articleResearchpeer-review

  90. 1994
  91. Published

    GABAA receptor agonists, partial agonists, and antagonists. Design and therapeutic prospects. / Krogsgaard-Larsen, P; Frølund, B; Jørgensen, Flemming Steen; Schousboe, A.

    In: Journal of Medicinal Chemistry, Vol. 37, No. 16, 1994, p. 2489-505.

    Research output: Contribution to journalJournal articleResearchpeer-review

  92. 1993
  93. Published

    Conformational analysis and molecular modelling of a partial GABA(A) agonist and a glycine antagonist related to the GABA(A) agonist, THIP. / Byberg Buur, J. R.; Hjeds, H.; Krogsgaard-Larsen, P.; Jorgensen, F. S.

    In: Drug Design and Discovery, Vol. 10, No. 3, 01.12.1993, p. 213-229.

    Research output: Contribution to journalJournal articleResearchpeer-review

  94. Published

    Conservation of a helix-stabilizing dipole moment in the PP-fold family of regulatory peptides. / Bjørnholm, B; Jørgensen, Flemming Steen; Schwartz, T W.

    In: Biochemistry, Vol. 32, No. 12, 1993, p. 2954-9.

    Research output: Contribution to journalJournal articleResearchpeer-review

  95. Published

    Three-dimensional structures of human phospholipase A2 from pancreas and synovial fluid by model building. / Christensen, I T; Jørgensen, Flemming Steen; Svensson, L A; Högberg, T.

    In: Drug Design and Discovery, Vol. 10, No. 2, 1993, p. 101-13.

    Research output: Contribution to journalJournal articleResearchpeer-review

  96. 1992
  97. Published

    AMPA receptor agonists: structural, conformational and stereochemical aspects. / Hansen, JJ; Jørgensen, FS; Lund, Trine Meldgaard; Nielsen, B; Reinhardt, A; Breum, I; Brehm, L; Krogsgaard-Larsen, P.

    Excitatory Amino Acid Receptors. ed. / Povl Krogsgaard-Larsen; Jan J Hansen. Ellis Horwood: Chichester, 1992.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  98. Published

    Conformational analysis of the fungicide fenpropimorph by molecular mechanics calculations and NMR spectroscopy. / Jensen, Jette Sandholm ; Jørgensen, Flemming Steen; Klemmensen, Per D.; Hacksell, Uli; Petersson, Ingrid.

    In: Journal of Pesticide Science, Vol. 36, 1992, p. 309-318.

    Research output: Contribution to journalJournal articleResearchpeer-review

  99. Published

    Substrate-enzyme interactions and catalytic mechanism in phospholipase C : a molecular modeling study using the GRID program. / Byberg, J R; Jørgensen, Flemming Steen; Hansen, S; Hough, E.

    In: Proteins: Structure, Function, and Bioinformatics, Vol. 12, No. 4, 1992, p. 331-8.

    Research output: Contribution to journalJournal articleResearchpeer-review

  100. 1991
  101. Published

    Conformational and pharmacological characterization of 4-AHCP, a bicyclic homologue of the excitatory amino acid receptor agonist AMPA. / Lund, Trine Meldgaard; Madsen, U; Ebert, B; Jorgensen, FS; Krogsgaard-Larsen, P.

    In: Med. Chem. Res, Vol. 1, 1991, p. 136-141.

    Research output: Contribution to journalJournal articleResearchpeer-review

  102. Published

    Excitatory amino acid receptors: multiplicity and structural requirements for activation and blockade. / Krogsgaard-Larsen, P; Lund, Trine Meldgaard; Jorgensen, FS; Brehn, L.

    Excitatory amino acids and synaptic function. ed. / H Wheal; A Thomson. London : Academic Press, 1991. p. 1-17 (Excitatory Amino Acids and Synaptic Transmission, Academic Press, London).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  103. Published

    Primary structure and conformational analysis of peptide methionine-tyrosine, a peptide related to neuropeptide Y and peptide YY isolated from lamprey intestine. / Conlon, J M; Bjørnholm, B; Jørgensen, Flemming Steen; Youson, J H; Schwartz, T W.

    In: European Journal of Biochemistry, Vol. 199, No. 2, 1991, p. 293-8.

    Research output: Contribution to journalJournal articleResearchpeer-review

  104. 1990
  105. Published

    Relationship between structure, conformational flexibility, and biological activity of agonists and antagonists at the N-methyl-D-aspartic acid subtype of excitatory amino acid receptors. / Madsen, U; Brehm, L; Schaumburg, Kjeld; Jørgensen, Flemming Steen; Krogsgaard-Larsen, P.

    In: Journal of Medicinal Chemistry, Vol. 33, No. 1, 1990, p. 374-80.

    Research output: Contribution to journalJournal articleResearchpeer-review

  106. Published

    Structural and stereochemical requirements for interactions with subtypes of central excitatory amino acid receptors. / Brehm, Lotte; Christensen, Inge T; Nielsen, Birgitte; Reinhardt, Annemarie ; Ebert, Bjarke; Madsen, Ulf; Jørgensen, Flemming Steen; Hansen, Jan J.; Krogsgaard-Larsen, Povl.

    Frontiers in Drug Research; Alfred Benzon Symposium 28. ed. / B. Jensen; F. S. Jørgensen; H. Kofod. Copenhagen : Munksgaard , 1990. p. 92-105.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  107. 1989
  108. Published

    3D-QSAR. Towards a quantitative three-dimensional description of muscarinic agonists. / Lagersted, A.; Jørgensen, F. S.

    In: Progress in Clinical and Biological Research, Vol. 291, 01.01.1989, p. 333-336.

    Research output: Contribution to journalJournal articleResearchpeer-review

  109. Published

    Heterocyclic muscarinic agonists : Structural and therapeutic aspects. / Krogsgaard-Larsen, P.; Jensen, B.; Falch, E.; Jorgensen, F. S.

    In: Drugs of the Future, Vol. 14, No. 6, 01.01.1989, p. 541-561.

    Research output: Contribution to journalJournal articleResearchpeer-review

  110. 1988
  111. Published

    Conformational analysis of peri-interactions in napththalene derivatives. Ring inversion in CH2–X–CH2-bridged peri-naphthalenes. / Anderson, J Edgar; Jørgensen, Flemming Steen.

    In: Journal of the Chemical Society. Perkin Transactions 2 (2001), Vol. 1988, No. 4, 01.04.1988, p. 469-471.

    Research output: Contribution to journalJournal articleResearchpeer-review

  112. Published

    peri-Interaction, ortho-interaction, and barriers to internal rotation. A dynamic nuclear magnetic resonance and molecular mechanics investigation of 1,2-dineopentylbenzene and 1,8-dineopentylnaphthalene. / Anderson, J Edgar; Barkel, David JD; Jørgensen, Flemming Steen.

    In: Journal of the Chemical Society. Perkin Transactions 2 (2001), No. 2, 01.02.1988, p. 199-202.

    Research output: Contribution to journalJournal articleResearchpeer-review

  113. 1987
  114. Published

    Molecular modelling of GABA uptake inhibitors. / Jørgensen, Flemming Steen; Thøgersen, Henning.

    In: Nordic Journal of Psychiatry, Vol. 41, No. 6, 01.01.1987, p. 483-486.

    Research output: Contribution to journalJournal articleResearchpeer-review

  115. Published

    Crystal structures and photoelectron spectra of some trimethanoanthracenes, tetramethanonaphthacenes, and pentamethanopentacenes. Experimental evidence for laticyclic hyperconjugation. / Paddon-Row, Michael N.; Englehardt, Lutz M.; Skelton, Brian W.; White, Allan H.; Jørgensen, Flemming Steen; Patney, Harish K.

    In: J. Chem. Soc., Perkin Trans. 2, 1987, p. 1835-1850.

    Research output: Contribution to journalJournal articleResearchpeer-review

  116. Published

    Setting the anomeric effect against steric effects in simple acyclic acetals. Non-anomeric non-classical conformations. An n.m.r. and molecular mechanics investigation. / Anderson, J. Edgar; Heki, Katsuhiko; Hirota, Minoru; Jørgensen, Flemming Steen.

    In: Chemical communications (Cambridge, England), Vol. 1987, 1987, p. 554-555.

    Research output: Contribution to journalJournal articleResearchpeer-review

  117. Published

    Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters. / Byberg, J R; Jørgensen, Flemming Steen; Klemmensen, P D.

    In: Journal of Computer - Aided Molecular Design, Vol. 1, No. 3, 1987, p. 181-95.

    Research output: Contribution to journalJournal articleResearchpeer-review

  118. 1985
  119. Published

    Crystal and Molecular Structure of anti-Sesquinorbornene. / Gaihede, Michael; Jørgensen, Flemming S.; Kopecky, Karl R.; Watson, William H.; Kashyap, Ram P.

    In: Journal of Organic Chemistry, Vol. 50, No. 22, 01.01.1985, p. 4395-4397.

    Research output: Contribution to journalJournal articleResearchpeer-review

  120. Published

    Cyclic Acetals. Structural Analysis of 1,3‐Dioxepine and Related Compounds. / Jørgensen, Flemming S.; Gajhede, Michael; Frei, Bruno.

    In: Helvetica Chimica Acta, Vol. 68, No. 8, 01.01.1985, p. 2148-2157.

    Research output: Contribution to journalJournal articleResearchpeer-review

  121. Published

    Cyclynes. Part 5. Pericyclynes: "exploded cycloalkanes" with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures, photoelectron spectra, and electron transmission spectra. / Houk, K. N.; Scott, Lawrence T.; Rondan, Nelson G.; Spellmeyer, David C.; Reinhardt, Gerd; Hyun, James L.; DeCicco, Gary J.; Weiss, Robert; Chen, Marie H. M.; Bass, Lawrence S.; Clardy, Jon; Jørgensen, Flemming Steen; Eaton, Thomas A.; Sarkozi, Victor; Petit, Christina M.; Ng, Lily; Jordan, Kenneth D.

    In: Journal of the American Chemical Society, Vol. 107, No. 23, 1985, p. 6556-6562.

    Research output: Contribution to journalJournal articleResearchpeer-review

  122. 1984
  123. Published

    3-mercaptopropanal. / Carlsen, Lars; Jørgensen, Flemming S.; Egsgaard, Helge; Nicolaisen, Flemming M.

    In: Journal of the Chemical Society, Perkin Transactions 2, No. 4, 01.01.1984, p. 609-613.

    Research output: Contribution to journalJournal articleResearchpeer-review

  124. 1983
  125. Published

    Crystal structure of merosinigrin, an (ap,ap)-monothioacetal; structural properties of the thioglycosidic linkage. / Nørskov-Lauritsen, Leif; Jørgensen, Flemming S.; Jaroszewski, Jerzy W.

    In: Carbohydrate Research, Vol. 123, No. 1, 11.11.1983, p. 1-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  126. Published

    1,2‐Oxathiolane – A Photoelectron Spectroscopic Study. / Jørgensen, Flemming S.; Carlsen, Lars.

    In: Chemische Berichte, Vol. 116, No. 6, 01.01.1983, p. 2374-2377.

    Research output: Contribution to journalJournal articleResearchpeer-review

  127. Published

    Photoelectron spectra of some decahydrotrimethanoanthracenes : Observation of large π orbital interactions through six bonds and an apparent violation of the trans rule. / Jørgensen, Flemming S.; Paddon-Row, Michael N.; Patney, Harish K.

    In: Journal of the Chemical Society, Chemical Communications, No. 10, 01.01.1983, p. 573-575.

    Research output: Contribution to journalJournal articleResearchpeer-review

  128. Published

    On the molecular and electronic features of syn- and anti-sequinorbornene. / Jørgensen, Flemming Steen.

    In: Tetrahedron Letters, Vol. 24, No. 47, 1983, p. 5289 - 5292.

    Research output: Contribution to journalJournal articleResearchpeer-review

  129. Published

    On the presence of extremely short H...H non-bonded distances, and orbital interactions through eight s bonds or through two methylene groups in tetramethanonaphthacenes. / Jørgensen, Flemming Steen; Paddon-Row, Michael N.

    In: Tetrahedron Letters, Vol. 24, No. 48, 1983, p. 5415 - 5418.

    Research output: Contribution to journalJournal articleResearchpeer-review

  130. Published

    cis-disulfides protelectron spectrum of a 6,7-dithiabicyclo[3.2.1]octane. / Jørgensen, Flemming Steen; McCabe, Peter H.

    In: Tetrahedron Letters, Vol. 24, No. 3, 1983, p. 319-322.

    Research output: Contribution to journalJournal articleResearchpeer-review

  131. 1982
  132. Published

    Correlations between Core Photoionization Energies (EB1s) and Gas-Phase Basicity. A General Method for Determining Sites of Protonation and Intramolecular Ion Reorganization Energies. / Buschek, J. M.; Jørgensen, F. S.; Brown, R. S.

    In: Journal of the American Chemical Society, Vol. 104, No. 19, 01.01.1982, p. 5019-5025.

    Research output: Contribution to journalJournal articleResearchpeer-review

  133. Published

    Ring inversion of CH2-X-CH2-bridged peri-naphthalenes. A dynamic n.m.r. study. / Anderson, J. Edgar; Jørgensen, Flemming S.; Thomsen, Tove.

    In: Journal of the Chemical Society, Chemical Communications, No. 6, 01.01.1982, p. 333-334.

    Research output: Contribution to journalJournal articleResearchpeer-review

  134. Published

    X-ray Photoelectron Spectroscopic Study of the Enol-Enethiol Tautomerism of Thioacetylacetone and Related β-Thioxoketones. / Jørgensen, Flemming S.; Brown, R. S.; Carlsen, Lars; Duus, Fritz.

    In: Journal of the American Chemical Society, Vol. 104, No. 22, 01.01.1982, p. 5922-5926.

    Research output: Contribution to journalJournal articleResearchpeer-review

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